5-(3-chlorophenoxy)pentan-1-amine;hydrochloride

C11H17Cl2NO — CID 86262412

IUPAC5-(3-chlorophenoxy)pentan-1-amine;hydrochloride
SMILESCl.NCCCCCOc1cccc(Cl)c1
InChIInChI=1S/C11H16ClNO.ClH/c12-10-5-4-6-11(9-10)14-8-3-1-2-7-13;/h4-6,9H,1-3,7-8,13H2;1H
InChIKeySPCPFIHGCFFQLJ-UHFFFAOYSA-N
MW250.17 g/mol
LogP3.27
Rot. Bonds6

About 5-(3-chlorophenoxy)pentan-1-amine;hydrochloride

5-(3-chlorophenoxy)pentan-1-amine;hydrochloride (PubChem CID 86262412) has the molecular formula C11H17Cl2NO and a molecular weight of 250.17 g/mol. Its IUPAC name is 5-(3-chlorophenoxy)pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name5-(3-chlorophenoxy)pentan-1-amine;hydrochloride
PubChem CID86262412
Molecular FormulaC11H17Cl2NO
Molecular Weight250.17 g/mol
Exact Mass249.07
IUPAC Name5-(3-chlorophenoxy)pentan-1-amine;hydrochloride
SMILESCl.NCCCCCOc1cccc(Cl)c1
InChIInChI=1S/C11H16ClNO.ClH/c12-10-5-4-6-11(9-10)14-8-3-1-2-7-13;/h4-6,9H,1-3,7-8,13H2;1H
InChIKeySPCPFIHGCFFQLJ-UHFFFAOYSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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5-(3-chloro-4-fluorophenoxy)pentan-1-amine
CID 63877786
2-[4-(3-chlorophenoxy)phenoxy]ethanamine
CID 19881384
1-amino-5-(3-chlorophenoxy)pentan-3-ol
CID 112508122
3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenoxy)pentan-1-amine;hydrochloride?
The IUPAC name of 5-(3-chlorophenoxy)pentan-1-amine;hydrochloride (CID 86262412) is 5-(3-chlorophenoxy)pentan-1-amine;hydrochloride.
What is the SMILES notation for 5-(3-chlorophenoxy)pentan-1-amine;hydrochloride?
The canonical SMILES for 5-(3-chlorophenoxy)pentan-1-amine;hydrochloride is Cl.NCCCCCOc1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenoxy)pentan-1-amine;hydrochloride?
The InChIKey is SPCPFIHGCFFQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO.ClH/c12-10-5-4-6-11(9-10)14-8-3-1-2-7-13;/h4-6,9H,1-3,7-8,13H2;1H.
What are the key properties of 5-(3-chlorophenoxy)pentan-1-amine;hydrochloride?
5-(3-chlorophenoxy)pentan-1-amine;hydrochloride has a molecular weight of 250.17 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenoxy)pentan-1-amine;hydrochloride is sourced from PubChem (CID 86262412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).